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	hartrees
Energy at 0K	-196.509512
Energy at 298.15K
HF Energy	-196.509512
Nuclear repulsion energy	186.298645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3118	2999	122.89
2	A	3101	2984	20.31
3	A	3101	2983	29.91
4	A	3098	2980	14.84
5	A	3085	2967	35.48
6	A	3063	2946	55.94
7	A	3046	2931	36.02
8	A	3044	2928	19.45
9	A	3038	2923	38.77
10	A	3034	2919	22.74
11	A	1564	1504	0.13
12	A	1545	1486	5.29
13	A	1543	1484	3.04
14	A	1540	1481	3.56
15	A	1536	1477	0.39
16	A	1382	1329	0.01
17	A	1379	1327	0.02
18	A	1362	1310	0.15
19	A	1357	1306	0.02
20	A	1346	1295	0.83
21	A	1303	1254	0.99
22	A	1266	1218	0.25
23	A	1248	1200	0.67
24	A	1234	1187	0.27
25	A	1193	1148	0.00
26	A	1069	1029	0.03
27	A	1064	1023	0.00
28	A	1031	992	0.73
29	A	1001	963	1.31
30	A	917	882	2.39
31	A	911	876	2.51
32	A	888	854	0.51
33	A	884	850	0.72
34	A	841	809	0.19
35	A	791	761	1.45
36	A	635	611	0.20
37	A	568	547	1.75
38	A	260	250	0.00
39	A	26i	25i	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	1.009	-0.768	0.249
C2	-0.336	1.255	0.125
C3	-1.313	0.040	0.014
C4	-0.414	-1.225	-0.151
C5	1.064	0.696	-0.236
H6	-0.326	1.637	1.154
H7	-0.631	2.088	-0.522
H8	-1.995	0.149	-0.837
H9	-1.938	-0.035	0.912
H10	-0.412	-1.550	-1.201
H11	-0.769	-2.072	0.446
H12	1.796	-1.396	-0.183
H13	1.124	-0.801	1.342
H14	1.211	0.718	-1.326
H15	1.879	1.271	0.216

	C1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		2.4318	2.4694	1.5472	1.5432	2.8952	3.3823	3.3231	3.1079	2.1750	2.2138	1.0959	1.0994	2.1743	2.2172
C2	2.4318		1.5632	2.4966	1.5492	1.0978	1.0955	2.2136	2.2027	3.1027	3.3708	3.4154	2.7997	2.1870	2.2168
C3	2.4694	1.5632		1.5608	2.4781	2.1963	2.2246	1.0959	1.0962	2.1942	2.2235	3.4299	2.8996	2.9369	3.4274
C4	1.5472	2.4966	1.5608		2.4252	3.1470	3.3412	2.2042	2.2065	1.0982	1.0956	2.2164	2.1851	2.7919	3.4097
C5	1.5432	1.5492	2.4781	2.4252		2.1789	2.2115	3.1646	3.2958	2.8546	3.3893	2.2173	2.1763	1.0993	1.0958
H6	2.8952	1.0978	2.1963	3.1470	2.1789		1.7622	2.9935	2.3356	3.9629	3.8024	3.9354	2.8426	3.0582	2.4239
H7	3.3823	1.0955	2.2246	3.3412	2.2115	1.7622		2.3915	2.8764	3.7070	4.2740	4.2596	3.8603	2.4322	2.7411
H8	3.3231	2.2136	1.0959	2.2042	3.1646	2.9935	2.3915		1.7587	2.3507	2.8432	4.1455	3.9212	3.2927	4.1686
H9	3.1079	2.2027	1.0962	2.2065	3.2958	2.3356	2.8764	1.7587		3.0140	2.3947	4.1219	3.1853	3.9355	4.0942
H10	2.1750	3.1027	2.1942	1.0982	2.8546	3.9629	3.7070	2.3507	3.0140		1.7638	2.4353	3.0631	2.7911	3.9003
H11	2.2138	3.3708	2.2235	1.0956	3.3893	3.8024	4.2740	2.8432	2.3947	1.7638		2.7256	2.4499	3.8527	4.2715
H12	1.0959	3.4154	3.4299	2.2164	2.2173	3.9354	4.2596	4.1455	4.1219	2.4353	2.7256		1.7697	2.4731	2.6984
H13	1.0994	2.7997	2.8996	2.1851	2.1763	2.8426	3.8603	3.9212	3.1853	3.0631	2.4499	1.7697		3.0709	2.4765
H14	2.1743	2.1870	2.9369	2.7919	1.0993	3.0582	2.4322	3.2927	3.9355	2.7911	3.8527	2.4731	3.0709		1.7688
H15	2.2172	2.2168	3.4274	3.4097	1.0958	2.4239	2.7411	4.1686	4.0942	3.9003	4.2715	2.6984	2.4765	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C4	C3	105.219	C1	C4	H10	109.437
C1	C4	H11	112.671	C1	C5	C2	103.697
C1	C5	H14	109.594	C1	C5	H15	113.226
C2	C3	C4	106.103	C2	C3	H8	111.491
C2	C3	H9	110.612	C2	C5	H14	110.173
C2	C5	H15	112.756	C3	C2	C5	105.536
C3	C2	H6	110.020	C3	C2	H7	112.395
C3	C4	H10	109.999	C3	C4	H11	112.486
C4	C1	C5	103.393	C4	C1	H12	112.862
C4	C1	H13	110.156	C4	C3	H8	110.922
C4	C3	H9	111.087	C5	C1	H12	113.228
C5	C1	H13	109.740	C5	C2	H6	109.629
C5	C2	H7	112.350	H6	C2	H7	106.925
H8	C3	H9	106.698	H10	C4	H11	107.029
H12	C1	H13	107.440	H14	C5	H15	107.376

All results from a given calculation for C₅H₁₀ (Cyclopentane)

using model chemistry: B3LYP/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.249
2	C	-0.252
3	C	-0.253
4	C	-0.251
5	C	-0.249
6	H	0.128
7	H	0.124
8	H	0.127
9	H	0.127
10	H	0.127
11	H	0.124
12	H	0.123
13	H	0.125
14	H	0.125
15	H	0.123

	x	y	z	Total
	-0.009	0.002	0.001	0.009
CHELPG
AIM
ESP

	x	y	z
x	7.596	0.001	-0.001
y	0.001	7.607	0.005
z	-0.001	0.005	7.015

<r²>	116.928
(<r²>)^1/2	10.813

All results from a given calculation for C5H10 (Cyclopentane)

using model chemistry: B3LYP/6-31G

States and conformations

All results from a given calculation for C₅H₁₀ (Cyclopentane)